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33257-38-4 | 3-formyl-4-hydroxy-5-iodobenzoic acid
CAS No: 33257-38-4 Catalog No: AG00IXNN MDL No:MFCD20481979
Product Description
Catalog Number:
AG00IXNN
Chemical Name:
3-formyl-4-hydroxy-5-iodobenzoic acid
CAS Number:
33257-38-4
Molecular Formula:
C8H5IO4
Molecular Weight:
292.0274
MDL Number:
MFCD20481979
IUPAC Name:
3-formyl-4-hydroxy-5-iodobenzoic acid
InChI:
InChI=1S/C8H5IO4/c9-6-2-4(8(12)13)1-5(3-10)7(6)11/h1-3,11H,(H,12,13)
InChI Key:
TWCVBFXBEXKSPT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1O)I)C(=O)O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.923g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.028g/mol
Monoisotopic Mass:
291.923g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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